BDBM50399922 CHEMBL2180974

SMILES: [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@@H]-1-[#7]-[#6](=O)-[#6]-[#6@H]-2-[#7](-[#6]-c3ccccc3)-[#6](=O)-[#6@H](-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6]-[#7]-[#6]-1=O)-[#7](-[#6]-c1ccccc1)-[#6]-2=O

InChI Key: InChIKey=BERNMEVEBUTYSS-JBXUNAHCSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50399922   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
ITGAV/ITGB3 (Homo sapiens (Human))	BDBM50399922 (CHEMBL2180974) Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@@H]-1-[#7]-[#6](=O)-[#6]-[#6@H]-2-[#7](-[#6]-c3ccccc3)-[#6](=O)-[#6@H](-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6]-[#7]-[#6]-1=O)-[#7](-[#6]-c1ccccc1)-[#6]-2=O |r| Show InChI InChI=1S/C33H41N9O8/c34-33(35)36-13-7-12-22-29(47)38-17-27(44)40-23(14-28(45)46)30(48)37-16-25-32(50)41(18-20-8-3-1-4-9-20)24(15-26(43)39-22)31(49)42(25)19-21-10-5-2-6-11-21/h1-6,8-11,22-25H,7,12-19H2,(H,37,48)(H,38,47)(H,39,43)(H,40,44)(H,45,46)(H4,34,35,36)/t22-,23-,24+,25-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Milano Curated by ChEMBL					Assay Description Competitive inhibition of biotinylated vitronectin to integrin alphaVbeta3 receptor after 3 hrs by microplate reader analysis				J Med Chem 55: 10460-74 (2012) Article DOI: 10.1021/jm301058f BindingDB Entry DOI: 10.7270/Q2WD41Q5
					More data for this Ligand-Target Pair
ITGAV/ITGB3 (Homo sapiens (Human))	BDBM50399922 (CHEMBL2180974) Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@@H]-1-[#7]-[#6](=O)-[#6]-[#6@H]-2-[#7](-[#6]-c3ccccc3)-[#6](=O)-[#6@H](-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6]-[#7]-[#6]-1=O)-[#7](-[#6]-c1ccccc1)-[#6]-2=O |r| Show InChI InChI=1S/C33H41N9O8/c34-33(35)36-13-7-12-22-29(47)38-17-27(44)40-23(14-28(45)46)30(48)37-16-25-32(50)41(18-20-8-3-1-4-9-20)24(15-26(43)39-22)31(49)42(25)19-21-10-5-2-6-11-21/h1-6,8-11,22-25H,7,12-19H2,(H,37,48)(H,38,47)(H,39,43)(H,40,44)(H,45,46)(H4,34,35,36)/t22-,23-,24+,25-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Milano Curated by ChEMBL					Assay Description Competitive inhibition of biotinylated vitronectin to integrin alphaVbeta3 receptor after 3 hrs by microplate reader analysis				J Med Chem 55: 10460-74 (2012) Article DOI: 10.1021/jm301058f BindingDB Entry DOI: 10.7270/Q2WD41Q5
					More data for this Ligand-Target Pair